CID 3043681

Brn 1596387

Structural Information

Molecular Formula
C25H38O2
SMILES
CCCCCC(C)C(C)C1=CC(=C2C3=C(CC(C3)(C)C)C(OC2=C1)(C)C)O
InChI
InChI=1S/C25H38O2/c1-8-9-10-11-16(2)17(3)18-12-21(26)23-19-14-24(4,5)15-20(19)25(6,7)27-22(23)13-18/h12-13,16-17,26H,8-11,14-15H2,1-7H3
InChIKey
RTKUCVAYNSXMMS-UHFFFAOYSA-N
Compound name
2,2,4,4-tetramethyl-7-(3-methyloctan-2-yl)-1,3-dihydrocyclopenta[c]chromen-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

370.28717 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.29445 195.2
[M+Na]+ 393.27639 202.0
[M-H]- 369.27989 199.3
[M+NH4]+ 388.32099 214.3
[M+K]+ 409.25033 197.8
[M+H-H2O]+ 353.28443 190.0
[M+HCOO]- 415.28537 207.5
[M+CH3COO]- 429.30102 223.2
[M+Na-2H]- 391.26184 193.5
[M]+ 370.28662 198.9
[M]- 370.28772 198.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe